ID: 24109
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(CCCCC)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.214
InChIKey:WHQNTYGEXYUCJI-UHFFFAOYSA-N
ID: 24110
SMILES:C(CCCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -18.334
InChIKey:HXPWAXPFMKPESR-UHFFFAOYSA-N
ID: 24111
SMILES:CC(C)=CCCC(=CCc1c(O)c(C)cc(OC(=O)C)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.522
InChIKey:PITQHPHVMREBJR-UHFFFAOYSA-N
ID: 24112
SMILES:C1(C)=CC(c2c(O)cc(CCCC)cc2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 24113
SMILES:O1C2C3C(C(C)(C)Oc4cc(CCCCC)cc(OC)c41)CCC(=C3)C(=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.007
InChIKey:APVOHKSOXIBAMK-UHFFFAOYSA-N
ID: 24114
SMILES:C1C2C(O)(c3c(cc(CCCCC)cc3O)OC2(C)C)C(OC(C)=O)C(C)(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.518
CB1 binding score: -16.438
InChIKey:HSJMNHDHNFQZFV-UHFFFAOYSA-N
ID: 24115
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)=CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -17.408
InChIKey:BIAGENGPCJIQFJ-UHFFFAOYSA-N
ID: 24116
SMILES:C1(C(C)C)CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.27
InChIKey:WPJGAEFIBVPIDI-UHFFFAOYSA-N
ID: 24117
SMILES:C(=CCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.653
CB1 binding score: -15.839
InChIKey:QMOJLWKSIMBBQR-UHFFFAOYSA-N
ID: 24118
SMILES:Oc1cc(O)c2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -16.807
InChIKey:NKRLFRROTIRYCS-UHFFFAOYSA-N
ID: 24119
SMILES:CC1(C)C2C(c3c(cc(CCCCCC)cc3O)O1)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 24120
SMILES:C1OC12CCC=C(CO)CC1c3c(cc(CCCCC)cc3O)OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.15
InChIKey:KMXNHBGTNXBGGR-UHFFFAOYSA-N
ID: 24121
SMILES:C=C(C)C(OC(=O)C)CCC(C)=CCc1c(O)c(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.815
InChIKey:KQEPEOVZIAHBHQ-UHFFFAOYSA-N
ID: 24122
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)ccc3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 24123
SMILES:c1c(CC=C(C)CCC=C(C)C)c(O)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -17.127
InChIKey:OPXKVEGAXOYJHJ-UHFFFAOYSA-N
ID: 24124
SMILES:Cc1c(C(=O)O)cc2c(c1)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.456
CB1 binding score: -14.462
InChIKey:DCPIAXNKUSBRKG-UHFFFAOYSA-N
ID: 24125
SMILES:C1(C)=CCc2c(c(C)cc(O)c2)OC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -15.5
InChIKey:REMDZJXUMAWZGY-UHFFFAOYSA-N
ID: 24126
SMILES:C1CC(C)=CC2c3c(cc(CCCCC)c(C(=O)OC)c3OCC(C)C)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.814
InChIKey:ZHKNWRRADFWISN-UHFFFAOYSA-N
ID: 24127
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 24128
SMILES:C1C2C(C)=CC(c3c(O)cc(CCC)cc3O)OC2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -14.552
InChIKey:YZDAZWVLALRXIK-UHFFFAOYSA-N
ID: 24129
SMILES:C1C2C(C)(C)CCCC3(CO)CC2c2c(cc(CCCCC)cc2O1)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.502
InChIKey:MIAWKALRUBNDAP-UHFFFAOYSA-N